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Stearolic acid

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Name

Stearolic acid

EINECS 208-030-8
CAS No. 506-24-1 Density 0.923 g/cm3
PSA 37.30000 LogP 5.55570
Solubility Insoluble in water. Melting Point 46-47 °C
Formula C18H32O2 Boiling Point 405.2 °C at 760 mmHg
Molecular Weight 280.451 Flash Point 196.3 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 506-24-1 (Stearolic acid) Hazard Symbols N/A
Synonyms

Stearolicacid (6CI);9-Stearolic acid;Octadecanoic acid-9-yne;

Article Data 38

Stearolic acid Specification

The Stearolic acid, with the CAS registry number 506-24-1, is also known as 9-Octadecynoic acid. Its EINECS registry number is 208-030-8. This chemical's molecular formula is C18H32O2 and molecular weight is 280.45. Its IUPAC name is called octadec-9-ynoic acid. When you are using this chemical, please be cautious about it, you should not breathe its dust and avoid contacting it with skin and eyes.

Physical properties of Stearolic acid: (1)ACD/LogP: 6.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.99; (4)ACD/LogD (pH 7.4): 4.2; (5)ACD/BCF (pH 5.5): 13598.86; (6)ACD/BCF (pH 7.4): 217.91; (7)ACD/KOC (pH 5.5): 18737.36; (8)ACD/KOC (pH 7.4): 300.25; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 14; (12)Index of Refraction: 1.471; (13)Molar Refractivity: 85.01 cm3; (14)Molar Volume: 303.5 cm3; (15)Surface Tension: 36.8 dyne/cm; (16)Density: 0.923 g/cm3; (17)Flash Point: 196.3 °C; (18)Enthalpy of Vaporization: 72.06 kJ/mol; (19)Boiling Point: 405.2 °C at 760 mmHg; (20)Vapour Pressure: 1.07E-07 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-tetrahydropyranyloxy-9-octadecyne. This reaction will need reagent Jones reagent and solvent acetone. The reaction temperature is 0 ℃. The yield is about 95%.

Uses of Stearolic acid: it can be used to produce octadec-9-yn-1-ol. This reaction will need reagent lithium alanate and diethyl ether.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCC#CCCCCCCCC(=O)O
(2)InChI: InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20)
(3)InChIKey: RGTIBVZDHOMOKC-UHFFFAOYSA-N

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